⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7706544 | 0.85 | — | — | |
| SCHEMBL9120565 | 0.72 | — | — | |
| SCHEMBL9120101 | 0.72 | — | — | |
| SCHEMBL4519902 | 0.72 | — | — | |
| SCHEMBL293489 | 0.72 | — | — | |
| SCHEMBL9120569 | 0.72 | — | — | |
| SCHEMBL7703182 | 0.71 | — | — | |
| SCHEMBL7700670 | 0.70 | PTGS1 (0.31) | — | |
| SCHEMBL9121616 | 0.69 | — | — | |
| SCHEMBL9121610 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090042957-A1 | Substituted Oxyarenes | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | US | claimed |
| EP-1831145-A1 | SUBSTITUTED OXYARENES | Bayer CropScience Aktiengesellschaft (DE) | 2007-09-12 | — | — | EP | claimed |
| WO-2006069685-A1 | SUBSTITUTED OXYARENES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-07-06 | — | — | WO | claimed |
| US-20090042957-A1 | Substituted Oxyarenes | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | US | disclosed |
| EP-1831145-A1 | SUBSTITUTED OXYARENES | Bayer CropScience Aktiengesellschaft (DE) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006069685-A1 | SUBSTITUTED OXYARENES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-07-06 | — | — | WO | disclosed |